Compound Detail
CHEMBL40823
OXINDOLE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL40823 |
| Name | OXINDOLE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYGFTBXVXVMTGB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
133.2
MW (Da)
1.18
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Spodoptera exigua CHEMBL613321 | IC50 | 4.49 | 4.49 | 32310.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.33 | 4.33 | 46250.0 | 1 |
| Phenol oxidase CHEMBL2366412 | IC50 | 4.29 | 4.29 | 51690.0 | 1 |
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial CHEMBL3861 | IC50 | 3.02 | 3.02 | 958000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Spodoptera exigua | IC50 | = | 32310.0 | nM | 4.49 | Inhibition of immune responses in Spodoptera exigua fifth-instar larvae assessed... | 22447611 |
| Unchecked | IC50 | = | 46250.0 | nM | 4.33 | Inhibition of PLA2 in hemocytes of Spodoptera exigua fifth-instar larvae using p... | 22447611 |
| Phenol oxidase | IC50 | = | 51690.0 | nM | 4.29 | Inhibition of phenoloxidase activity in hemolymph of Spodoptera exigua fifth-ins... | 22447611 |
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | IC50 | = | 958000.0 | nM | 3.02 | Inhibition of human PDHK2 assessed as reduction in acetyl-coenzymeA formation by... | 34274549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24433962 | 10.1016/j.bmc.2013.12.039 | Leishmania infantum | 8 |
| 24433962 | 10.1016/j.bmc.2013.12.039 | ADMET | 4 |
| 11754587 | 10.1021/jm010289a | No relevant target | 2 |
| 22447611 | 10.1128/aem.00301-12 | Phenol oxidase | 2 |
| 22447611 | 10.1128/aem.00301-12 | Unchecked | 2 |
| 22447611 | 10.1128/aem.00301-12 | Plutella xylostella | 2 |
| 24433962 | 10.1016/j.bmc.2013.12.039 | RAW264.7 | 2 |
| 34274549 | 10.1016/j.bmc.2021.116283 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2 |
| 22447611 | 10.1128/aem.00301-12 | Spodoptera exigua | 1 |
| 23659209 | 10.1021/jm400138z | Chymase | 1 |
| - | 10.1039/C2MD20287E | Radical scavenging activity | 1 |
| 34274549 | 10.1016/j.bmc.2021.116283 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine